Pyrene - analytical standard , CAS No.129-00-0

CAS: 129-00-0 Cat. No.: R109056 Formula: C16H10 Molecular Weight: 202.25 Beilstein Registry Number: 1307225 EC Number: 204-927-3
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
Benzo (d,e,f) phenanthrene | Coal tar pitch volatiles:pyrene | Pyrene, certified reference material, 1000 mug/mL in methanol | AS-13613 | NSC66449 | NSC-66449 | Pyrene, certified reference material, TraceCERT(R) | Q-201641 | Pyrene; Benzo[def]phenanthrene
Storage
Protected from light,Room temperature
Shipped In
Normal
★
Size
USA
Germany (EU)*
Price
Qty
1000mg
R109056-1000mg
5 In stock
—
$19.90
1g
R109056-1g
2 In stock
—
$19.90
5g
R109056-5g
1 In stock
—
$49.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 482 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Benzo (d,e,f) phenanthrene | Coal tar pitch volatiles:pyrene | Pyrene, certified reference material, 1000 mug/mL in methanol | AS-13613 | NSC66449 | NSC-66449 | Pyrene, certified reference material, TraceCERT(R) | Q-201641 | Pyrene; Benzo[def]phenanthrene
Specifications & Purity
analytical standard
Storage
Protected from light,Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508816317
Canonical Smiles
C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
IUPAC Name
pyrene
InChIKey
BBEAQIROQSPTKN-UHFFFAOYSA-N
INCHI
1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2
WGK Germany
2
RTECS
UR2450000
Molecular Weight
202.25
Beilstein
1307225
Reaxy-Rn
1307225
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307225&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPyrenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrenes
Alternative Parents Phenanthrenes and derivatives  Naphthalenes  Aromatic hydrocarbons  Polycyclic hydrocarbons  Unsaturated hydrocarbons  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Pyrene - Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors ortho- and peri-fused polycyclic arene
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP1B1 Tchem Cytochrome P450 1B1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP1A1 Tchem Cytochrome P450 1A1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GALNT2 Tchem Polypeptide N-acetylgalactosaminyltransferase 2 (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Galc Galactocerebrosidase (11 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Polycyclic aromatic hydrocarbon binding protein (16 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot NumberCertificate TypeDateItem
H2604059Certificate of AnalysisAug 13, 2026 R109056
H2604058Certificate of AnalysisAug 07, 2026 R109056
K2205415Certificate of AnalysisMay 09, 2026 R109056
A2615118Certificate of AnalysisMar 31, 2025 R109056
C2524473Certificate of AnalysisMar 31, 2025 R109056
C2524481Certificate of AnalysisMar 31, 2025 R109056
C2524492Certificate of AnalysisMar 31, 2025 R109056
C2524493Certificate of AnalysisMar 31, 2025 R109056
F2602072Certificate of AnalysisMar 31, 2025 R109056
I2109409Certificate of AnalysisJun 09, 2023 R109056
Chemical and Physical Properties
SolubilitySolubility in water 0.135 mg/l at 25 ℃
Sensitivitylight sensitive
Flash Point(°C)224℃
Boil Point(°C)404℃
Melt Point(°C)150°C
Molecular Weight202.250 g/mol
XLogP34.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass202.078 Da
Monoisotopic Mass202.078 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity217.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.